Open AccessA new approach for the development of diabatic potential energy surfaces: Hybrid block-diagonalization and diabatization by ansatz
Author(s) -
Nils Wittenbrink,
Florian Venghaus,
D. R. M. Williams,
Wolfgang Eisfeld
Publication year - 2016
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4967258
Subject(s) - ansatz , diabatic , adiabatic process , wave function , hamiltonian (control theory) , ab initio , quantum mechanics , physics , statistical physics , mathematics , mathematical optimization
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